tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

C143H133Cl6F15N4O3Si3Zr3 — CID 157084972

IUPACtris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCC(C)(C)OCCCCCC[Si](C)([c-]1c2ccccc2c2ccccc21)[c-]1c2ccccc2c2c1c1ccccc1n2Cc1c(F)c(F)c(F)c(F)c1F.Cc1ccc2c(c1)c1c(c3ccccc3[c-]1[Si](C)(CCCCCCOC(C)(C)C)[c-]1c3ccccc3c3c1c1ccccc1n3C)n2Cc1c(F)c(F)c(F)c(F)c1F.Cc1ccc2c(c1)c1c(c3ccccc3[c-]1[Si](C)(CCCCCCOC(C)(C)C)[c-]1c3ccccc3c3ccccc31)n2Cc1c(F)c(F)c(F)c(F)c1F.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl
InChIInChI=1S/C50H47F5N2OSi.C47H44F5NOSi.C46H42F5NOSi.6ClH.3Zr/c1-29-23-24-38-35(27-29)40-47(57(38)28-36-41(51)43(53)45(55)44(54)42(36)52)31-18-10-12-20-33(31)49(40)59(6,26-16-8-7-15-25-58-50(2,3)4)48-32-19-11-9-17-30(32)46-39(48)34-21-13-14-22-37(34)56(46)5;1-28-22-23-37-35(26-28)38-44(53(37)27-36-39(48)41(50)43(52)42(51)40(36)49)31-18-10-13-21-34(31)46(38)55(5,25-15-7-6-14-24-54-47(2,3)4)45-32-19-11-8-16-29(32)30-17-9-12-20-33(30)45;1-46(2,3)53-25-15-5-6-16-26-54(4,44-31-20-10-7-17-28(31)29-18-8-11-21-32(29)44)45-33-22-12-9-19-30(33)43-37(45)34-23-13-14-24-36(34)52(43)27-35-38(47)40(49)42(51)41(50)39(35)48;;;;;;;;;/h9-14,17-24,27H,7-8,15-16,25-26,28H2,1-6H3;8-13,16-23,26H,6-7,14-15,24-25,27H2,1-5H3;7-14,17-24H,5-6,15-16,25-27H2,1-4H3;6*1H;;;/q3*-2;;;;;;;3*+4/p-6
InChIKeyADZHFEGKAWJSTO-UHFFFAOYSA-H
MW2811.28 g/mol
LogP41.25
Rot. Bonds33

About tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane

tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (PubChem CID 157084972) has the molecular formula C143H133Cl6F15N4O3Si3Zr3 and a molecular weight of 2811.28 g/mol. Its IUPAC name is tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.

Molecular Properties

Compound Nametris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
PubChem CID157084972
Molecular FormulaC143H133Cl6F15N4O3Si3Zr3
Molecular Weight2811.28 g/mol
Exact Mass2802.47
IUPAC Nametris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane
SMILESCC(C)(C)OCCCCCC[Si](C)([c-]1c2ccccc2c2ccccc21)[c-]1c2ccccc2c2c1c1ccccc1n2Cc1c(F)c(F)c(F)c(F)c1F.Cc1ccc2c(c1)c1c(c3ccccc3[c-]1[Si](C)(CCCCCCOC(C)(C)C)[c-]1c3ccccc3c3c1c1ccccc1n3C)n2Cc1c(F)c(F)c(F)c(F)c1F.Cc1ccc2c(c1)c1c(c3ccccc3[c-]1[Si](C)(CCCCCCOC(C)(C)C)[c-]1c3ccccc3c3ccccc31)n2Cc1c(F)c(F)c(F)c(F)c1F.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl
InChIInChI=1S/C50H47F5N2OSi.C47H44F5NOSi.C46H42F5NOSi.6ClH.3Zr/c1-29-23-24-38-35(27-29)40-47(57(38)28-36-41(51)43(53)45(55)44(54)42(36)52)31-18-10-12-20-33(31)49(40)59(6,26-16-8-7-15-25-58-50(2,3)4)48-32-19-11-9-17-30(32)46-39(48)34-21-13-14-22-37(34)56(46)5;1-28-22-23-37-35(26-28)38-44(53(37)27-36-39(48)41(50)43(52)42(51)40(36)49)31-18-10-13-21-34(31)46(38)55(5,25-15-7-6-14-24-54-47(2,3)4)45-32-19-11-8-16-29(32)30-17-9-12-20-33(30)45;1-46(2,3)53-25-15-5-6-16-26-54(4,44-31-20-10-7-17-28(31)29-18-8-11-21-32(29)44)45-33-22-12-9-19-30(33)43-37(45)34-23-13-14-24-36(34)52(43)27-35-38(47)40(49)42(51)41(50)39(35)48;;;;;;;;;/h9-14,17-24,27H,7-8,15-16,25-26,28H2,1-6H3;8-13,16-23,26H,6-7,14-15,24-25,27H2,1-5H3;7-14,17-24H,5-6,15-16,25-27H2,1-4H3;6*1H;;;/q3*-2;;;;;;;3*+4/p-6
InChIKeyADZHFEGKAWJSTO-UHFFFAOYSA-H
XLogP41.25
TPSA47.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds33
Heavy Atoms177
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002811.28
LogP ≤ 541.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The IUPAC name of tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane (CID 157084972) is tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane.
What is the SMILES notation for tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The canonical SMILES for tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is CC(C)(C)OCCCCCC[Si](C)([c-]1c2ccccc2c2ccccc21)[c-]1c2ccccc2c2c1c1ccccc1n2Cc1c(F)c(F)c(F)c(F)c1F.Cc1ccc2c(c1)c1c(c3ccccc3[c-]1[Si](C)(CCCCCCOC(C)(C)C)[c-]1c3ccccc3c3c1c1ccccc1n3C)n2Cc1c(F)c(F)c(F)c(F)c1F.Cc1ccc2c(c1)c1c(c3ccccc3[c-]1[Si](C)(CCCCCCOC(C)(C)C)[c-]1c3ccccc3c3ccccc31)n2Cc1c(F)c(F)c(F)c(F)c1F.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.
What is the InChIKey of tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
The InChIKey is ADZHFEGKAWJSTO-UHFFFAOYSA-H. The full InChI is InChI=1S/C50H47F5N2OSi.C47H44F5NOSi.C46H42F5NOSi.6ClH.3Zr/c1-29-23-24-38-35(27-29)40-47(57(38)28-36-41(51)43(53)45(55)44(54)42(36)52)31-18-10-12-20-33(31)49(40)59(6,26-16-8-7-15-25-58-50(2,3)4)48-32-19-11-9-17-30(32)46-39(48)34-21-13-14-22-37(34)56(46)5;1-28-22-23-37-35(26-28)38-44(53(37)27-36-39(48)41(50)43(52)42(51)40(36)49)31-18-10-13-21-34(31)46(38)55(5,25-15-7-6-14-24-54-47(2,3)4)45-32-19-11-8-16-29(32)30-17-9-12-20-33(30)45;1-46(2,3)53-25-15-5-6-16-26-54(4,44-31-20-10-7-17-28(31)29-18-8-11-21-32(29)44)45-33-22-12-9-19-30(33)43-37(45)34-23-13-14-24-36(34)52(43)27-35-38(47)40(49)42(51)41(50)39(35)48;;;;;;;;;/h9-14,17-24,27H,7-8,15-16,25-26,28H2,1-6H3;8-13,16-23,26H,6-7,14-15,24-25,27H2,1-5H3;7-14,17-24H,5-6,15-16,25-27H2,1-4H3;6*1H;;;/q3*-2;;;;;;;3*+4/p-6.
What are the key properties of tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane?
tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane has a molecular weight of 2811.28 g/mol, XLogP of 41.25, 33 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dichlorozirconium(2+));fluoren-9-id-9-yl-methyl-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane;fluoren-9-id-9-yl-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-[5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]silane;methyl-(5-methylindeno[1,2-b]indol-10-id-10-yl)-[8-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]indeno[1,2-b]indol-10-id-10-yl]-[6-[(2-methylpropan-2-yl)oxy]hexyl]silane is sourced from PubChem (CID 157084972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).